C73H103Br6Cl4KN20O14S4 — CID 157389161
potassium;5-bromo-2-chloropyrimidine;5-(4-bromophenyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(propylsulfamoyl)pyrimidin-4-amine;5-(4-bromophenyl)-6-chloro-N-(propylsulfamoyl)pyrimidin-4-amine;5-(4-bromophenyl)-4,6-dichloropyrimidine;2-[5-(4-bromophenyl)-6-(propylsulfamoylamino)pyrimidin-4-yl]oxyethanol;ethane-1,2-diol;methane;propylsulfamoylazanide (PubChem CID 157389161) has the molecular formula C73H103Br6Cl4KN20O14S4 and a molecular weight of 2273.36 g/mol. Its IUPAC name is potassium;5-bromo-2-chloropyrimidine;5-(4-bromophenyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(propylsulfamoyl)pyrimidin-4-amine;5-(4-bromophenyl)-6-chloro-N-(propylsulfamoyl)pyrimidin-4-amine;5-(4-bromophenyl)-4,6-dichloropyrimidine;2-[5-(4-bromophenyl)-6-(propylsulfamoylamino)pyrimidin-4-yl]oxyethanol;ethane-1,2-diol;methane;propylsulfamoylazanide.
| Compound Name | potassium;5-bromo-2-chloropyrimidine;5-(4-bromophenyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(propylsulfamoyl)pyrimidin-4-amine;5-(4-bromophenyl)-6-chloro-N-(propylsulfamoyl)pyrimidin-4-amine;5-(4-bromophenyl)-4,6-dichloropyrimidine;2-[5-(4-bromophenyl)-6-(propylsulfamoylamino)pyrimidin-4-yl]oxyethanol;ethane-1,2-diol;methane;propylsulfamoylazanide |
|---|---|
| PubChem CID | 157389161 |
| Molecular Formula | C73H103Br6Cl4KN20O14S4 |
| Molecular Weight | 2273.36 g/mol |
| Exact Mass | 2264.03 |
| IUPAC Name | potassium;5-bromo-2-chloropyrimidine;5-(4-bromophenyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(propylsulfamoyl)pyrimidin-4-amine;5-(4-bromophenyl)-6-chloro-N-(propylsulfamoyl)pyrimidin-4-amine;5-(4-bromophenyl)-4,6-dichloropyrimidine;2-[5-(4-bromophenyl)-6-(propylsulfamoylamino)pyrimidin-4-yl]oxyethanol;ethane-1,2-diol;methane;propylsulfamoylazanide |
| SMILES | C.C.C.C.C.C.C.CCCNS(=O)(=O)Nc1ncnc(Cl)c1-c1ccc(Br)cc1.CCCNS(=O)(=O)Nc1ncnc(OCCO)c1-c1ccc(Br)cc1.CCCNS(=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc(Br)cc1.CCCNS([NH-])(=O)=O.Clc1ncc(Br)cn1.Clc1ncnc(Cl)c1-c1ccc(Br)cc1.OCCO.[K+] |
| InChI | InChI=1S/C19H20Br2N6O4S.C15H19BrN4O4S.C13H14BrClN4O2S.C10H5BrCl2N2.C4H2BrClN2.C3H9N2O2S.C2H6O2.7CH4.K/c1-2-7-26-32(28,29)27-17-16(13-3-5-14(20)6-4-13)18(25-12-24-17)30-8-9-31-19-22-10-15(21)11-23-19;1-2-7-19-25(22,23)20-14-13(11-3-5-12(16)6-4-11)15(18-10-17-14)24-9-8-21;1-2-7-18-22(20,21)19-13-11(12(15)16-8-17-13)9-3-5-10(14)6-4-9;11-7-3-1-6(2-4-7)8-9(12)14-5-15-10(8)13;5-3-1-7-4(6)8-2-3;1-2-3-5-8(4,6)7;3-1-2-4;;;;;;;;/h3-6,10-12,26H,2,7-9H2,1H3,(H,24,25,27);3-6,10,19,21H,2,7-9H2,1H3,(H,17,18,20);3-6,8,18H,2,7H2,1H3,(H,16,17,19);1-5H;1-2H;5H,2-3H2,1H3,(H-,4,6,7);3-4H,1-2H2;7*1H4;/q;;;;;-1;;;;;;;;;+1 |
| InChIKey | BLUFKPBKZODFAJ-UHFFFAOYSA-N |
| XLogP | 15.54 |
| TPSA | 487.63 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 26 |
| Rotatable Bonds | 31 |
| Heavy Atoms | 122 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2273.36 |
| LogP ≤ 5 | 15.54 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 26 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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